Marvin 01171110552D 36 38 0 0 1 0 999 V2000 11.8197 -4.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8197 -5.1077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1052 -3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -5.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3908 -4.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3908 -5.1077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5342 -3.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5342 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 -4.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3908 -6.7576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3908 -7.5826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6763 -6.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -7.9951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9619 -6.7576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9619 -7.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1052 -7.9951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -8.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -7.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2475 -6.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 -6.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2486 -6.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -7.1701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2486 -5.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9630 -5.5201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6776 -5.9327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6776 -6.7577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9632 -4.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -7.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -7.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1053 -8.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8198 -9.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3908 -9.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 1 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 9 1 6 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 1 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 1 0 0 0 27 28 1 0 0 0 0 28 31 1 6 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 29 32 1 6 0 0 0 25 33 1 6 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 19 34 1 0 0 0 0 M END > CHEBI:61012 > alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp > A branched amino trisaccharide consisting of β-D-galactose having an α-L-fucosyl residue at the 2-position and an N-acetyl-α-D-galactosaminyl residue at the 3-position. > 3 > WURCS=2.0/3,3,2/[a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a2-b1_a3-c1; O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranose; N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose; GalNAcalpha1->3(Fucalpha1->2)Galbeta; GalNAcalpha1-3(Fucalpha1-2)Galbeta; GalNAcalpha1,3(Fucalpha1,2)Galbeta; GalNAca1-3(Fuca1-2)Galb; blood group A type 1 trisaccharide; blood group A trisaccharide; beta-D-galactopyranose, O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-; alphaGalNAc1->3(alphaFuc1->2)betaGal; alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp; alpha-L-fucosyl-(1->2)-[alpha-D-N-acetylgalactosaminyl-(1->3)]-beta-D-galactose; alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal; alpha-D-N-acetylgalactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose; alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal; 2-acetamido-2-deoxy-alpha-D-galactosyl-(1->3)-[6-deoxy-alpha-L-galactosyl-(1->2)]-beta-D-galactose; 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranose > 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranose > C20H35NO15 > 529.48960 > 529.20067 > 0 > C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C20H35NO15/c1-5-10(25)14(29)15(30)20(32-5)36-17-16(12(27)8(4-23)33-18(17)31)35-19-9(21-6(2)24)13(28)11(26)7(3-22)34-19/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12-,13+,14+,15-,16-,17+,18+,19+,20-/m0/s1 > HUMHYXGDUOGHTG-NCTIFWBYSA-N > 11291690; 11342254; 11679577; 16133831; 16442559; 1878409; 19443021; 19582848; 2093727; 24749871; 25568069; 31537530; 4104425; 7510273; 7521740; 7841803; 8212667 $$$$